2-[6-[(1S)-1-azaniumylpentyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[6-[(1S)-1-azaniumylpentyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[6-[(1S)-1-azaniumylpentyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[6-[(1S)-1-ammoniopentyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[6-[(1S)-1-azaniumylpentyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[6-[(1S)-1-ammoniopentyl]-3-keto-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C17H29N3O2+2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC2=C(C=C1)OCC(=O)N2CC[NH+](C)C)[NH3+]

Isomeric SMILES

CCCC[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC[NH+](C)C)[NH3+]

InChI

InChI=1S/C17H27N3O2/c1-4-5-6-14(18)13-7-8-16-15(11-13)20(10-9-19(2)3)17(21)12-22-16/h7-8,11,14H,4-6,9-10,12,18H2,1-3H3/p+2/t14-/m0/s1